Experiment Name
unproductive-spread

Structure Complexes Generated

8

Combined Score

-138.354 ±3.602

Interface RMSD

1.168 ±0.687

DockQ Score

0.76 ±0.144

Docking Performance Distribution
Heavy Chain Sequence
EVGTEESPAEVKKPGATIKVSCKNSGFTFSSTSYGVSATKQNPGPGPEWIGDISRRSGTGINTSESLQGRVTITTDNTINTVYYELSSLRAEDTATYYCARVKADGFYGGGNGGLLNWVGPWGQGTLVTVTS
Light Chain Sequence
DIVLQQSPGSVAASPEQRASISCRVSISLSHDGEYSQVWWEYQIRPEEAPRLPIYRSNSRESGVPDRFDGSGYGTTVSLNIRPGPDTLTPEDVIDYFCKQPNESSATLETDTIAGGTKVENKENP
Best-Scoring Complex: mdscoring_2.pdb

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Individual Performance
model md5 caprieval_rank score irmsd fnat lrmsd ilrmsd dockq cluster-id cluster-ranking model-cluster-ranking air angles bonds bsa cdih coup dani desolv dihe elec improper rdcs rg total vdw vean xpcs
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FrankIES :

FrankIES (Frankie Immune Engineering Suite) is a computational pipeline for antibody engineering that integrates multiple advanced tools:

  • Diffusion: EvoDiff v1.1.0 (Docker container: cford38/evodiff:v1.1.0)
  • Folding: ESM
  • Docking: HADDOCK3 (Docker container: cford38/haddock:3)

Host System: Ubuntu 22.04 with NVIDIA 560 drivers and CUDA 12.6

The pipeline automates the complex process of antibody design, folding, docking, and evaluation, providing comprehensive results visualization through this interactive report.